N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine

C22H22F3NO — CID 19884956

IUPACN,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine
SMILESCN(C)C(CCOc1ccc(C(F)(F)F)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H22F3NO/c1-26(2)20(16-8-4-3-5-9-16)14-15-27-21-13-12-19(22(23,24)25)17-10-6-7-11-18(17)21/h3-13,20H,14-15H2,1-2H3
InChIKeyQJYMZEQSVFAQPM-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.93
Rot. Bonds6

About N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine

N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine (PubChem CID 19884956) has the molecular formula C22H22F3NO and a molecular weight of 373.42 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine
PubChem CID19884956
Molecular FormulaC22H22F3NO
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine
SMILESCN(C)C(CCOc1ccc(C(F)(F)F)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H22F3NO/c1-26(2)20(16-8-4-3-5-9-16)14-15-27-21-13-12-19(22(23,24)25)17-10-6-7-11-18(17)21/h3-13,20H,14-15H2,1-2H3
InChIKeyQJYMZEQSVFAQPM-UHFFFAOYSA-N
XLogP5.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine
CID 152608744
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine;sulfate
CID 53233661
bis(2-aminoethanol);(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine;sulfate
CID 53233761
4-(4-aminophenyl)sulfonylaniline;(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine;hydrochloride
CID 156579759
3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine
CID 19884969
(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786
dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate
CID 175948791
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butan-1-ol
CID 64803666
(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine
CID 126483479
2-(propan-2-ylamino)-4-[2-(trifluoromethyl)phenoxy]butanoic acid
CID 63041584
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butanenitrile
CID 55143143
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine (CID 19884956) is N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine is CN(C)C(CCOc1ccc(C(F)(F)F)c2ccccc12)c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine?
The InChIKey is QJYMZEQSVFAQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO/c1-26(2)20(16-8-4-3-5-9-16)14-15-27-21-13-12-19(22(23,24)25)17-10-6-7-11-18(17)21/h3-13,20H,14-15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine?
N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine has a molecular weight of 373.42 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine is sourced from PubChem (CID 19884956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).